SCHEMBL4037824

SCHEMBL4037824

CC(C)(C)CC(NC(=O)Oc1ccsc1)C(=O)N1CCC2C1C(=O)CN2S(=O)(=O)C(=O)c1ccccn1

nearest known ligand 0.36

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
CTSK P43235 3/20 0.36
CTSL P07711 1/20 0.35
CTSS P25774 1/20 0.35
ELANE P08246 1/20 0.33
USP30 Q70CQ3 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4044691 0.93 PREP (0.35) CTSKELANE
SCHEMBL4050151 0.92 CTSK (0.41) CTSKCTSLCTSS
SCHEMBL4051200 0.90 CTSK (0.44) CTSKCTSLCTSS
SCHEMBL4041994 0.89 CTSS (0.39) CTSKCTSLCTSSUSP30
SCHEMBL4043853 0.88 CTSK (0.37) CTSKCTSLCTSSELANE
SCHEMBL4045469 0.88 ELANE (0.37) CTSKCTSLCTSSELANE
SCHEMBL4049243 0.88 CTSK (0.44) CTSKCTSLCTSSELANE
SCHEMBL4045044 0.88 CTSK (0.36) CTSKELANE
SCHEMBL4046569 0.86 CTSK (0.35) CTSKCTSLCTSSELANE
SCHEMBL4046102 0.84 KCNQ1 (0.38) CTSKELANE

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1546150-B1 PYRROLE DERIVATIVES AS INHIBITORS OF CYTEINE PROTEASES AMURA THERAPEUTICS LTD (GB) 2009-03-04 EP claimed